화학공학소재연구정보센터
검색결과 : 3,103건
No. Article
1 Development of reaction-diffusion DFT and its application to catalytic oxidation of NO in porous materials
Liu Y, Liu HL
AIChE Journal, 66(2), 2020
2 Time-dependent density functional study for nanodroplet coalescence
Niu YP, Liu Y, Liu HL, Hu Y
AIChE Journal, 66(2), 2020
3 Oxygen Deficient TiO2-x with Dual Reaction Sites for Activation of H2O2 to Degrade Organic Pollutants
Qiu JY, Chen JH, Xiao BY, Li XX, Wan T, Qin FH, Mi Y, Huang ZY
Catalysis Letters, 150(1), 222, 2020
4 Mechanistic pathways for oxygen removal on Pt-doped Co(111) in the Fischer-Tropsch reaction
Govender S, Gambu TG, van Heerden T, van Steen E
Catalysis Today, 342, 142, 2020
5 A quantum-chemical study of the CO dissociation mechanism on low-index Miller planes of circle minus-Fe3C
Broos RJP, Klumpers B, Zijlstra B, Filot IAW, Hensen EJM
Catalysis Today, 342, 152, 2020
6 Two-dimensional tetragonal GaOI and InOI sheets: In-plane anisotropic optical properties and application to photocatalytic water splitting
He JJ, Lyu PB, Nachtigall P
Catalysis Today, 340, 178, 2020
7 CH4 dissociation and C-C coupling on Mo-terminated MoC surfaces: A DFT study
Zhang TY, Yang XF, Ge QF
Catalysis Today, 339, 54, 2020
8 Mo2TiC2 MXene: A Promising Catalyst for Electrocatalytic Ammonia Synthesis
Gao YJ, Cao YY, Zhuo H, Sun X, Gu YB, Zhuang GL, Deng SW, Zhong X, Wei ZZ, Li XN, Wang JG
Catalysis Today, 339, 120, 2020
9 Identification of the most active sites for tetrahydropyranylation in zeolites: MFI as a test case
Liu M, Vesely O, Eliasova P, Shamzhy M, Lyu P, Grajciar L
Catalysis Today, 345, 165, 2020
10 Systematic computational investigation of an Ni3Fe catalyst for the OER
Lyu P, Nachtigall P
Catalysis Today, 345, 220, 2020